9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine

C70H58N2 — CID 168723056

IUPAC9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43CCCCC3)c3ccc4c(c3)c3ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C70H58N2/c1-4-15-47(16-5-1)48-17-14-20-54(40-48)71(55-27-31-64-61(43-55)57-21-8-10-23-63(57)69(64)33-12-3-13-34-69)56-28-32-67-62(44-56)59-29-25-50(42-68(59)72(67)53-18-6-2-7-19-53)49-26-30-66-60(41-49)58-22-9-11-24-65(58)70(66)51-36-45-35-46(38-51)39-52(70)37-45/h1-2,4-11,14-32,40-46,51-52H,3,12-13,33-39H2
InChIKeyYXJQUVZKOUBIDO-UHFFFAOYSA-N
MW927.25 g/mol
LogP18.54
Rot. Bonds6

About 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine

9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine (PubChem CID 168723056) has the molecular formula C70H58N2 and a molecular weight of 927.25 g/mol. Its IUPAC name is 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine
PubChem CID168723056
Molecular FormulaC70H58N2
Molecular Weight927.25 g/mol
Exact Mass926.46
IUPAC Name9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43CCCCC3)c3ccc4c(c3)c3ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C70H58N2/c1-4-15-47(16-5-1)48-17-14-20-54(40-48)71(55-27-31-64-61(43-55)57-21-8-10-23-63(57)69(64)33-12-3-13-34-69)56-28-32-67-62(44-56)59-29-25-50(42-68(59)72(67)53-18-6-2-7-19-53)49-26-30-66-60(41-49)58-22-9-11-24-65(58)70(66)51-36-45-35-46(38-51)39-52(70)37-45/h1-2,4-11,14-32,40-46,51-52H,3,12-13,33-39H2
InChIKeyYXJQUVZKOUBIDO-UHFFFAOYSA-N
XLogP18.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.25
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722836
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine
CID 168722567
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722800
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100
9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine
CID 168722791
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-(2,4-diphenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 163855626
9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568063

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine (CID 168723056) is 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43CCCCC3)c3ccc4c(c3)c3ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine?
The InChIKey is YXJQUVZKOUBIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58N2/c1-4-15-47(16-5-1)48-17-14-20-54(40-48)71(55-27-31-64-61(43-55)57-21-8-10-23-63(57)69(64)33-12-3-13-34-69)56-28-32-67-62(44-56)59-29-25-50(42-68(59)72(67)53-18-6-2-7-19-53)49-26-30-66-60(41-49)58-22-9-11-24-65(58)70(66)51-36-45-35-46(38-51)39-52(70)37-45/h1-2,4-11,14-32,40-46,51-52H,3,12-13,33-39H2.
What are the key properties of 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine?
9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine has a molecular weight of 927.25 g/mol, XLogP of 18.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine is sourced from PubChem (CID 168723056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).